The influence of data pre-processing in the pattern recognition of excipients near-infrared spectra

Journal of Pharmaceutical and Biomedical Analysis

Volumn 21, Issue 1, 1999, Pages 115-132

  Candolfi, A ^a   De Maesschalck, R ^a   Jouan Rimbaud, D ^a   Hailey, P A ^b   Massart, D L ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

Author keywords

NIR spectroscopy; Pattern recognition; Pharmaceutical excipients; Positive identification; Pre processing

Indexed keywords

ANALYTICAL ERROR; ARTICLE; CLASSIFICATION; DRUG IDENTIFICATION; INFORMATION PROCESSING; INFRARED SPECTROSCOPY; PATTERN RECOGNITION; PRIORITY JOURNAL; PROBABILITY; STANDARD; TECHNIQUE; THEORETICAL STUDY;

EXCIPIENTS; PATTERN RECOGNITION, AUTOMATED; QUALITY CONTROL; SPECTROSCOPY, NEAR-INFRARED;

EID: 0032848132     PISSN: 07317085     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0731-7085(99)00125-9     Document Type: Article

References (37)

1. J. Griffin, W. Kohn, NIR Spectroscopy as a Key Element in Total Quality Management in the Pharmaceutical Industry, Ciba-Geigy AG, Analytical Promotion K-127.2.30, CH-4002 Basel.
2. Gemperline P.J., Webber L.D., Cox F.O. Anal. Chem. 61:1989;138-144.
3. Shah N.K., Gemperline P.J. Anal. Chem. 62:1990;465-470.
4. Gemperline P.J., Boyer N.R. Anal. Chem. 67:1995;160-166.
5. Corti P., Savini L., Dreassi E., Ceramelli G., Montecchi L., Lonardi S. Pharm. Acta Helv. 67:1992;57-61.
6. Downey G. Analyst. 119:1994;2367-2375.
7. Osborne B.G., Fearn T., Hindle P.H. Practical NIR spectroscopy. 2nd edn. 1993;Longman, Harlow, UK.
8. Wetzel D.L. Anal. Chem. A. 55:1983;1165A-1176.
9. Naes T., Isaksson T. NIR News. 1,5,15:1994;2.
10. Candolfi A., Wu W., Massart D.L., Heuerding S. J. Pharm. Biomed. Anal. 16:1998;1329-1347.
11. Candolfi A., De Maesschalck R., Hailey P.A., Harrington A.C.E., Massart D.L. Identification of pharmaceutical excipients using NIR spectroscopy and SIMCA. J. Pharm. Biomed. Anal. 19:1999;923-935.
12. Barnes R.J., Dhanoa M.S., Lister S.J. Appl. Spectrosc. 43:1989;772-777.
13. Geladi P., MacDougall D., Martens H. Appl. Spectrosc. 39:1985;491-500.
14. Isaksson T., Naes T. Appl. Spectrosc. 42:1988;1273-1284.
15. Savitzky A., Golay M.J.E. Anal. Chem. 36:1994;1627-1639.
16. Gorry P.A. Anal. Chem. 62:1990;570-573.
17. Derde M.P., Massart D.L. Anal. Chim. Acta. 191:1986;1-16.
18. Massart D.L., Vandeginste B.G.M., Deming S.N., Michotte Y., Kaufman L. Chemometrics: A Textbook. 1988;385, Elsevier, Amsterdam.
19. Jouan-Rimbaud D., Bouveresse E., Massart D.L., de Noord O.E. Detection of prediction outliers and inliers in multivariate calibration. Anal. Chim. Acta. 388:1999;283-301.
20. Wold S., Sjöström M. Kowalski B.R. Chemometrics: Theory and Application. 1977;243-281 American Chemical Society, Washington, DC.
21. Derde M.P., Massart D.L. Chemometr. Intell. Lab. Syst. 4:1988;65-93.
22. Mertens B., Thompson M., Fearn T. Analyst. 119:1996;2777-2784.
23. De Maesschalck R., Candolfi A., Heuerding S., Massart D.L. Decision Criteria for SIMCA Applied to Near Infrared Data. Chemometr. Intell. Lab. Syst. 52:1999;63-75.
24. Tracy N.D., Young J.C., Mason R.L. J. Quality Technol. 24:1992;88-95.
25. Mark H.L., Tunnell D. Anal. Chem. 57:1985;1449-1456.
26. Mark H.L. Anal. Chem. 58:1986;379-384.
27. Dempster M.A., MacDonald B.F., Gemperline P.J., Boyer N.R. Anal. Chim. Acta. 310:1995;43-51.
28. Wold S., Sjoestroem M. J. Chemometr. 1:1987;243-245.
29. IQ2 V.1.02, NIRSystems, Inc., Silver Spring, MD (1990).
30. Gerhaeuser C.I., Kovar K.-A. Appl. Spectrosc. 51:1997;1504-1510.
31. Coomans D., Massart D.L., Broeckaert I., Tassin A. Anal. Chim. Acta. 133:1981;215-224.
32. Coomans D., Massart D.L. Anal. Chim. Acta. 133:1981;225-239.
33. Coomans D., Broeckaert I. Potential Pattern Recognition in Chemical and Medical Decision Making. 1986;Research Studies, UK.
34. De Noord O.E. Chemometr. Intell. Lab. Syst. 25:1994;85-97.
35. Bouveresse E., Massart D.L. Vibrational Spec. 11:1996;3-15.
36. Malinowski E.R. Factor Analysis in Chemistry. 2nd. edn:1991;Wiley, New York.
37. Wu W., Guo Q., Massart D.L. The robust normal variate transform for pattern recognition with near-infrared data. Anal. Chim. Acta. 382:1999;87-103.